3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide

C21H20ClFN2O4 — CID 60583795

IUPAC3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1
InChIInChI=1S/C21H20ClFN2O4/c1-12-5-3-6-15(9-12)28-11-14(26)10-24-21(27)18-13(2)29-25-20(18)19-16(22)7-4-8-17(19)23/h3-9,14,26H,10-11H2,1-2H3,(H,24,27)
InChIKeySDEARUUPRYJMKX-UHFFFAOYSA-N
MW418.85 g/mol
LogP3.92
Rot. Bonds7

About 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 60583795) has the molecular formula C21H20ClFN2O4 and a molecular weight of 418.85 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID60583795
Molecular FormulaC21H20ClFN2O4
Molecular Weight418.85 g/mol
Exact Mass418.11
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(OCC(O)CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1
InChIInChI=1S/C21H20ClFN2O4/c1-12-5-3-6-15(9-12)28-11-14(26)10-24-21(27)18-13(2)29-25-20(18)19-16(22)7-4-8-17(19)23/h3-9,14,26H,10-11H2,1-2H3,(H,24,27)
InChIKeySDEARUUPRYJMKX-UHFFFAOYSA-N
XLogP3.92
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.85
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119996847
3-(2-chloro-6-fluorophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26259312
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4227262
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2-chloro-6-fluorophenyl)-N-[(3-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209822
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 60583795) is 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1cccc(OCC(O)CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SDEARUUPRYJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O4/c1-12-5-3-6-15(9-12)28-11-14(26)10-24-21(27)18-13(2)29-25-20(18)19-16(22)7-4-8-17(19)23/h3-9,14,26H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 418.85 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60583795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).